Sugi Predict

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SCHEMBL70900

SCHEMBL70900

Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.46
▸ GAA P10253 2/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1730532 1.00 STAT3 (0.46) STAT3GAADHODHALDH1A1CA1
SCHEMBL70901 1.00 STAT3 (0.46) STAT3GAADHODHALDH1A1CA1
SCHEMBL16488723 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL2225071 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL2225063 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL16468235 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL15189067 0.93 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1
SCHEMBL8172920 0.93 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1
SCHEMBL8173710 0.93 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1
SCHEMBL14081828 0.91 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 — — EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 — — US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 — — US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 — — US disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 — — EP disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 — — US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 — — EP disclosed
US-6369223-B2 USING CATALYST COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 — — US disclosed
US-20020032338-A1 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-03-14 — — US disclosed
US-20020004602-A1 Asymmetric cycloaddition reactions JACOBSEN ERIC N (US) 2002-01-10 — — US disclosed
US-6262278-B1 REACTING WATER AND MIXTURE OF STEREOISOMERS OF CHIRAL CYCLIC SUBSTRATE IN THE PRESENCE OF NON-RACEMIC CHIRAL CATALYST TO PRODUCE BY KINETIC RESOLUTION STEREOISOMERICALLY ENRICHED CYCLIC SUBSTRATE OR STEREOISOMERICALLY ENRICHED HYDROLYZATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2001-07-17 — — US disclosed
US-6211370-B1 REACTING A DIENOPHILE WITH A 1,3-DIENE HARVARD UNIVERSITY 2001-04-03 — — US disclosed
US-6130340-A CATALYST SELECTIVITY; DRUG CHEMICAL INTERMEDIATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-10-10 — — US disclosed
WO-2000050365-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-08-31 — — WO disclosed
US-5929232-A REACTING NUCLEOPHILE AND RACEMIC MIXTURE OF CHIRAL CYCLIC SUBSTRATE IN PRESENCE OF NON-RACEMIC CHIRAL CATALYST TO PRODUCE STEREOISOMERICALLY ENRICHED CYCLIC SUBSTRATE BY KINETIC RESOLUTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-27 — — US disclosed
US-5665890-A CHEMICAL SYNTHESIS COMPRISING REACTING A NUCLEOPHILE AND A CHIRAL OR PROCHIRAL CYCLIC SUBSTRATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-09 — — US disclosed
US-5563263-A EPOXIDATION CATALYSTS HOECHST CELANESE CORPORATION (US) 1996-10-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 STAT3 1579/4885GAA 2114/4885DHODH 1920/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 STAT3 1586/4885GAA 1897/4885DHODH 1756/4885
US-20020004602-A1 Asymmetric cycloaddition reactions PAPSS1, SPR, CMKLR1 STAT3 2789/4885GAA 3502/4885DHODH 372/4885
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 STAT3 2873/4885GAA 3715/4885DHODH 1026/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 STAT3 1784/4885GAA 1989/4885DHODH 2618/4885
US-20020032338-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH STAT3 4885/4885GAA 225/4885DHODH 62/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.